6-fluoro-1-[(4-methylphenyl)methyl]indole

C16H14FN — CID 22256864

IUPAC6-fluoro-1-[(4-methylphenyl)methyl]indole
SMILESCc1ccc(Cn2ccc3ccc(F)cc32)cc1
InChIInChI=1S/C16H14FN/c1-12-2-4-13(5-3-12)11-18-9-8-14-6-7-15(17)10-16(14)18/h2-10H,11H2,1H3
InChIKeyQULVRSNATJGZPD-UHFFFAOYSA-N
MW239.29 g/mol
LogP4.14
Rot. Bonds2

About 6-fluoro-1-[(4-methylphenyl)methyl]indole

6-fluoro-1-[(4-methylphenyl)methyl]indole (PubChem CID 22256864) has the molecular formula C16H14FN and a molecular weight of 239.29 g/mol. Its IUPAC name is 6-fluoro-1-[(4-methylphenyl)methyl]indole.

Molecular Properties

Compound Name6-fluoro-1-[(4-methylphenyl)methyl]indole
PubChem CID22256864
Molecular FormulaC16H14FN
Molecular Weight239.29 g/mol
Exact Mass239.11
IUPAC Name6-fluoro-1-[(4-methylphenyl)methyl]indole
SMILESCc1ccc(Cn2ccc3ccc(F)cc32)cc1
InChIInChI=1S/C16H14FN/c1-12-2-4-13(5-3-12)11-18-9-8-14-6-7-15(17)10-16(14)18/h2-10H,11H2,1H3
InChIKeyQULVRSNATJGZPD-UHFFFAOYSA-N
XLogP4.14
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-[(4-methylphenyl)methyl]indole?
The IUPAC name of 6-fluoro-1-[(4-methylphenyl)methyl]indole (CID 22256864) is 6-fluoro-1-[(4-methylphenyl)methyl]indole.
What is the SMILES notation for 6-fluoro-1-[(4-methylphenyl)methyl]indole?
The canonical SMILES for 6-fluoro-1-[(4-methylphenyl)methyl]indole is Cc1ccc(Cn2ccc3ccc(F)cc32)cc1.
What is the InChIKey of 6-fluoro-1-[(4-methylphenyl)methyl]indole?
The InChIKey is QULVRSNATJGZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN/c1-12-2-4-13(5-3-12)11-18-9-8-14-6-7-15(17)10-16(14)18/h2-10H,11H2,1H3.
What are the key properties of 6-fluoro-1-[(4-methylphenyl)methyl]indole?
6-fluoro-1-[(4-methylphenyl)methyl]indole has a molecular weight of 239.29 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-[(4-methylphenyl)methyl]indole is sourced from PubChem (CID 22256864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).